tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate

C20H27NO2 — CID 10358229

IUPACtert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate
SMILESCc1ccc(C)c2c1C=CC21CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H27NO2/c1-14-6-7-15(2)17-16(14)8-9-20(17)10-12-21(13-11-20)18(22)23-19(3,4)5/h6-9H,10-13H2,1-5H3
InChIKeyOFGVOXXSYQORPY-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.60
Rot. Bonds

About tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate

tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate (PubChem CID 10358229) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate
PubChem CID10358229
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Nametert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate
SMILESCc1ccc(C)c2c1C=CC21CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H27NO2/c1-14-6-7-15(2)17-16(14)8-9-20(17)10-12-21(13-11-20)18(22)23-19(3,4)5/h6-9H,10-13H2,1-5H3
InChIKeyOFGVOXXSYQORPY-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 10451390
tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 10087410
tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
CID 176829524
1-O'-tert-butyl 8-O-methyl 7-methylspiro[chromene-2,4'-piperidine]-1',8-dicarboxylate
CID 177120355
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 131664474
tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 172575429
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-[4-(2,5-dimethylpyrrol-1-yl)-2-methylphenyl]-4-hydroxypiperidine-1-carboxylate
CID 67170370
tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 67422951
tert-butyl 3-[(Z)-but-2-enyl]-4-ethenyl-8-azaspiro[4.5]deca-1,3-diene-8-carboxylate
CID 142950855

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate (CID 10358229) is tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate is Cc1ccc(C)c2c1C=CC21CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate?
The InChIKey is OFGVOXXSYQORPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-14-6-7-15(2)17-16(14)8-9-20(17)10-12-21(13-11-20)18(22)23-19(3,4)5/h6-9H,10-13H2,1-5H3.
What are the key properties of tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate?
tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate has a molecular weight of 313.44 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 10358229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).